Geometry & MOs

Info

ID:

429270

PubChem CID:

135169174

Reduced:

ClO3N6C24H29 (1)

Stoich.:

AB3C6D24E29 (1)

Weight, g/mol:

540.144344

ΔHf, kcal/mol:

-77.36

Dipole, Da:

6.71

IP(EA), eV:

 -9.03(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(2,5-dichlorophenyl)propyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=NC=C1)C(=O)[C@@H]2C(C(=O)N2C(=O)NCC3CCCC(C3)Cl)CC4=CC(=NC=C4)N

DOS

IR

Vibrations